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	hartrees
Energy at 0K	-303.085985
Energy at 298.15K
HF Energy	-303.085985
Nuclear repulsion energy	160.390367

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3065	2929	57.74	113.22	0.23	0.37
2	A₁	1958	1871	35.28	47.38	0.14	0.25
3	A₁	1467	1402	0.21	3.01	0.45	0.62
4	A₁	1180	1128	111.61	2.62	0.15	0.26
5	A₁	555	530	0.91	7.56	0.21	0.35
6	A₁	288	275	14.81	0.63	0.35	0.52
7	A₂	1043	997	0.00	0.63	0.75	0.86
8	A₂	188	179	0.00	0.48	0.75	0.86
9	B₁	1051	1005	0.08	1.17	0.75	0.86
10	B₁	131	125	5.03	0.07	0.75	0.86
11	B₂	3042	2907	2.22	0.54	0.75	0.86
12	B₂	1877	1793	767.20	2.76	0.75	0.86
13	B₂	1404	1342	10.82	4.16	0.75	0.86
14	B₂	1136	1086	700.38	1.77	0.75	0.86
15	B₂	722	690	50.19	0.05	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.381
C2	1.173	-0.320
C3	-1.173	-0.320
O4	2.220	0.226
O5	-2.220	0.226
H6	1.034	-1.410
H7	-1.034	-1.410

	O1	C2	C3	O4	O5	H6	H7
O1		1.3661	1.3661	2.2257	2.2257	2.0672	2.0672
C2	1.3661		2.3457	1.1810	3.4368	1.0985	2.4611
C3	1.3661	2.3457		3.4368	1.1810	2.4611	1.0985
O4	2.2257	1.1810	3.4368		4.4406	2.0204	3.6419
O5	2.2257	3.4368	1.1810	4.4406		3.6419	2.0204
H6	2.0672	1.0985	2.4611	2.0204	3.6419		2.0676
H7	2.0672	2.4611	1.0985	3.6419	2.0204	2.0676

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.636	O1	C2	H6	113.575
O1	C3	O5	121.636	C2	O1	C3	118.303
O4	C2	H6	124.788

All results from a given calculation for CHOOCHO (diformyl ether)

using model chemistry: M06-2X/aug-cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	O	-0.062
2	C	0.135
3	C	0.135
4	O	-0.643
5	O	-0.643
6	H	0.539
7	H	0.539

	x	y	z	Total
	0.000	0.000	-3.487	3.487
CHELPG
AIM
ESP

<r²>	123.853
(<r²>)^1/2	11.129